ID: 91960
SMILES:C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.771
InChIKey:VGSHJKOXKGYENI-UHFFFAOYSA-N
ID: 91961
SMILES:C(C)(=C1C(C(O)=O)C2(C)OC1C1C2c2c(O)cc(CCCCC)cc2O1)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.562
InChIKey:CUJAUYLHJRDAPY-UHFFFAOYSA-N
ID: 91962
SMILES:C1(C)(C)C2CCC(C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 91963
SMILES:Oc1cc(CCc2ccc(O)cc2)cc(O)c1CC=C(C)CCC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 91964
SMILES:CC1=CC2C(C(C)(C)Oc3c(C(=O)C(C)C)c(O)cc(OC)c32)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.756
InChIKey:UBDOCONPWQKMPC-UHFFFAOYSA-N
ID: 91965
SMILES:CC(C)=CCc1cccc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 296.454
CB1 binding score: -19.068
InChIKey:VIXBGVSZVGOVNJ-UHFFFAOYSA-N
ID: 91966
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C)=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.502
InChIKey:PQRKFQTZXICNQV-UHFFFAOYSA-N
ID: 91967
SMILES:C1CC(C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.947
InChIKey:ZFKHGDFOBRVMII-UHFFFAOYSA-N
ID: 91968
SMILES:C(C(CCCC(C)=CCc1cc(O)cc(C)c1O)C)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 91969
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 91970
SMILES:c1c(CCCCC)cc2c(c1O)C1=C(C(C)(C)O2)CC2C(C)(C(O)C(OC(=O)C)C3C2(C)CCC(O)C(C)(C)O3)C(=O)C1(C)C(CC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 668.868
CB1 binding score: -12.399
InChIKey:QIODDTOCGCPCHM-UHFFFAOYSA-N
ID: 91971
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CCC=C(C)CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.358
InChIKey:OAXPCSYTSHXBEE-UHFFFAOYSA-N
ID: 91972
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -11.728
InChIKey:NAUNOFOSKRESDE-UHFFFAOYSA-N
ID: 91973
SMILES:C(CCC)Cc1cc(O)c2c3c1C1C(C(O)C(C)=C1C2=O)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.837
InChIKey:OVCQAERFKMETTG-UHFFFAOYSA-N
ID: 91974
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 91975
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 91976
SMILES:C(c1cc2c(c(O)c1)C1C(C(CO)(C)O2)CCC(C)=C1)CCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.934
InChIKey:IVMNZDGUACHXMC-UHFFFAOYSA-N
ID: 91977
SMILES:C1(CCC(C)=CCc2c(O)ccc(C=Cc3cc(OC)c4c(c3)OC(C)(C)C3C4C=C(C)CC3)c2O)=C(C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.852
CB1 binding score: -15.05
InChIKey:LCLFSYHMEODMGV-UHFFFAOYSA-N
ID: 91978
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)cc(CCCCC)c(OC(=O)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.509
InChIKey:AZBNCVLPZNEMEM-UHFFFAOYSA-N
ID: 91979
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 91980
SMILES:O1c2c(c(O)cc(C)c2)C2C1C(N=C=S)CC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 289.4
CB1 binding score: -13.983
InChIKey:CBAZBTDLORKBAE-UHFFFAOYSA-N